[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanamine

C10H13F3N4 — CID 64584130

IUPAC[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(c2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C10H13F3N4/c11-10(12,13)8-1-3-15-9(16-8)17-4-2-7(5-14)6-17/h1,3,7H,2,4-6,14H2
InChIKeyMFKJNELOKBVJPD-UHFFFAOYSA-N
MW246.24 g/mol
LogP1.28
Rot. Bonds2

About [1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanamine

[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanamine (PubChem CID 64584130) has the molecular formula C10H13F3N4 and a molecular weight of 246.24 g/mol. Its IUPAC name is [1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanamine
PubChem CID64584130
Molecular FormulaC10H13F3N4
Molecular Weight246.24 g/mol
Exact Mass246.11
IUPAC Name[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(c2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C10H13F3N4/c11-10(12,13)8-1-3-15-9(16-8)17-4-2-7(5-14)6-17/h1,3,7H,2,4-6,14H2
InChIKeyMFKJNELOKBVJPD-UHFFFAOYSA-N
XLogP1.28
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Piperazin-1-yl)-4-(trifluoromethyl)pyrimidine
CID 2778334
2-Amino-4-(trifluoromethyl)pyrimidine
CID 595915
(3aS,6aS)-1-(4-(trifluoromethyl)pyrimidin-2-yl)-octahydropyrrolo[3,4-b]pyrrole
CID 24849050
Rac-1-(4-(trifluoromethyl)pyrimidin-2-yl)-octahydropyrrolo[3,4-b]pyrrole
CID 44412150
(3aR,6aR)-1-(4-(trifluoromethyl)pyrimidin-2-yl)-octahydropyrrolo[3,4-b]pyrrole
CID 44412308
(2R,3aS,6aS)-2-methyl-1-(4-(trifluoromethyl)pyrimidin-2-yl)-octahydropyrrolo[3,4-b]pyrrole
CID 44412388
(2S,3aS,6aS)-2-methyl-1-(4-(trifluoromethyl)pyrimidin-2-yl)-octahydropyrrolo[3,4-b]pyrrole
CID 44412389
1-[4-(Trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane
CID 2782067
N-isopropyl-4-(trifluoromethyl)pyrimidin-2-amine
CID 2796113
N,N-dimethyl-4-(trifluoromethyl)pyrimidin-2-amine
CID 10750222
2-Methyl-4-(trifluoromethyl)pyrimidine
CID 10103447
4-(Trifluoromethyl)pyrimidine
CID 15074799

Frequently Asked Questions

What is the IUPAC name of [1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanamine (CID 64584130) is [1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanamine is NCC1CCN(c2nccc(C(F)(F)F)n2)C1.
What is the InChIKey of [1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanamine?
The InChIKey is MFKJNELOKBVJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4/c11-10(12,13)8-1-3-15-9(16-8)17-4-2-7(5-14)6-17/h1,3,7H,2,4-6,14H2.
What are the key properties of [1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanamine?
[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanamine has a molecular weight of 246.24 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 64584130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).